# generated using pymatgen data_Ta3V3(Ni10B3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85237057 _cell_length_b 12.85237057 _cell_length_c 12.85237057 _cell_angle_alpha 33.68626377 _cell_angle_beta 33.68626377 _cell_angle_gamma 33.68626427 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3V3(Ni10B3)4 _chemical_formula_sum 'Ta3 V3 Ni40 B12' _cell_volume 581.85537255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.99999600 0.99999600 0.99999600 1.0 Ta Ta1 1 0.49999100 0.49999100 0.49999100 1.0 Ta Ta2 1 0.37504100 0.37504100 0.37504100 1.0 V V3 1 0.87492800 0.87492800 0.87492800 1.0 V V4 1 0.12505600 0.12505600 0.12505600 1.0 V V5 1 0.62506900 0.62506900 0.62506900 1.0 Ni Ni6 1 0.65692400 0.34294900 0.99965100 1.0 Ni Ni7 1 0.15716100 0.84277500 0.50062200 1.0 Ni Ni8 1 0.82807200 0.17172200 0.17172200 1.0 Ni Ni9 1 0.32775100 0.67162000 0.67162000 1.0 Ni Ni10 1 0.65692400 0.99965100 0.34294900 1.0 Ni Ni11 1 0.15716100 0.50062200 0.84277500 1.0 Ni Ni12 1 0.17172200 0.17172200 0.82807200 1.0 Ni Ni13 1 0.67162000 0.67162000 0.32775100 1.0 Ni Ni14 1 0.99965100 0.34294900 0.65692400 1.0 Ni Ni15 1 0.50062200 0.84277500 0.15716100 1.0 Ni Ni16 1 0.84277500 0.50062200 0.15716100 1.0 Ni Ni17 1 0.34294900 0.99965100 0.65692400 1.0 Ni Ni18 1 0.32826800 0.32826800 0.67241900 1.0 Ni Ni19 1 0.82853900 0.82853900 0.17128800 1.0 Ni Ni20 1 0.67241900 0.32826800 0.32826800 1.0 Ni Ni21 1 0.17128800 0.82853900 0.82853900 1.0 Ni Ni22 1 0.32826800 0.67241900 0.32826800 1.0 Ni Ni23 1 0.82853900 0.17128800 0.82853900 1.0 Ni Ni24 1 0.34294900 0.65692400 0.99965100 1.0 Ni Ni25 1 0.84277500 0.15716100 0.50062200 1.0 Ni Ni26 1 0.99965100 0.65692400 0.34294900 1.0 Ni Ni27 1 0.50062200 0.15716100 0.84277500 1.0 Ni Ni28 1 0.17172200 0.82807200 0.17172200 1.0 Ni Ni29 1 0.67162000 0.32775100 0.67162000 1.0 Ni Ni30 1 0.03468900 0.57912500 0.57912500 1.0 Ni Ni31 1 0.54499700 0.07300700 0.07300700 1.0 Ni Ni32 1 0.57912500 0.57912500 0.03468900 1.0 Ni Ni33 1 0.07300700 0.07300700 0.54499700 1.0 Ni Ni34 1 0.80903700 0.80903700 0.80903700 1.0 Ni Ni35 1 0.30690100 0.30690100 0.30690100 1.0 Ni Ni36 1 0.57912500 0.03468900 0.57912500 1.0 Ni Ni37 1 0.07300700 0.54499700 0.07300700 1.0 Ni Ni38 1 0.45313400 0.92871800 0.92871800 1.0 Ni Ni39 1 0.95215500 0.42812400 0.42812400 1.0 Ni Ni40 1 0.92871800 0.92871800 0.45313400 1.0 Ni Ni41 1 0.42812400 0.42812400 0.95215500 1.0 Ni Ni42 1 0.69000600 0.69000600 0.69000600 1.0 Ni Ni43 1 0.19105700 0.19105700 0.19105700 1.0 Ni Ni44 1 0.92871800 0.45313400 0.92871800 1.0 Ni Ni45 1 0.42812400 0.95215500 0.42812400 1.0 B B46 1 0.86677900 0.86677900 0.40013000 1.0 B B47 1 0.36649500 0.36649500 0.90105000 1.0 B B48 1 0.09917200 0.63382500 0.63382500 1.0 B B49 1 0.59956400 0.13294500 0.13294500 1.0 B B50 1 0.86677900 0.40013000 0.86677900 1.0 B B51 1 0.36649500 0.90105000 0.36649500 1.0 B B52 1 0.63382500 0.63382500 0.09917200 1.0 B B53 1 0.13294500 0.13294500 0.59956400 1.0 B B54 1 0.40013000 0.86677900 0.86677900 1.0 B B55 1 0.90105000 0.36649500 0.36649500 1.0 B B56 1 0.63382500 0.09917200 0.63382500 1.0 B B57 1 0.13294500 0.59956400 0.13294500 1.0